1-Chloro-1,2-benziodoxol-3(1H)-one

Name: 1-Chloro-1,2-benziodoxol-3(1H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 59457-26-0
Cat. No. CS-0514270
Purity≥95%
MDL No.MFCD28411322

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Chloro-1,2-benziodoxol-3(1H)-one|CS-0514270

Structure of 59457-26-0

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Description

1-Chloro-1,2-benziodoxol-3(1H)-one is a bench-stable hypervalent iodine reagent featuring a chlorinated iodine center that enables selective oxidation and functionalization. The fused benziodoxole scaffold delivers high reactivity with excellent stability under standard conditions, facilitating efficient C–H and C–C bond formation in complex molecule synthesis.

Application

1-Chloro-1,2-benziodoxol-3(1H)-one serves as a stable, bench-ready hypervalent iodine reagent that enables efficient C–H functionalization and oxidative transformations. It functions as a versatile electrophilic chlorinating agent and facilitates the construction of complex heterocyclic scaffolds through mild, metal-free oxidation protocols. Its high stability, ease of handling, and compatibility with diverse functional groups make it ideal for iterative synthesis in medicinal chemistry and natural product derivatization.

General Information

CAS No. 59457-26-0
Cat. No. CS-0514270
Purity ≥95%
MDL No. MFCD28411322
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClIO₂
Molecular Weight None
Synonym(s) 3H-1,2-Benziodoxol-3-one, 1-chloro-
SMILES O=C1OI(Cl)C2=CC=CC=C12

Computational Chemistry Data

TPSA 26.3
LogP 2.6018
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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1-Chloro-1,2-benziodoxol-3(1H)-one

CAS No. 59457-26-0

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